! Pwscf input file created with ciftopw.py 
! Compound: KPAuSe3
&control
         calculation     = 'bands'
         prefix          = 'KPAuSe3'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           13.4623455094644520
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.1379895562814482
         celldm(4)       =            0.3662855897359844
         celldm(5)       =            0.3662855897359844
         celldm(6)       =            0.4878505147452515
         nat             =       12
         ntyp            =        4
         ecutwfc         =       42.00000000
         ecutrho         =      424.00000000
         occupations     =  'smearing'  
         smearing        =  'f-d' 
         degauss         =        1.00000000e-03  
         noncolin        =  .true. 
         lspinorb        =  .true. 
/
&electrons
         conv_thr        =        1.00000000e-05 
         mixing_beta     =        3.00000000e-01    
   /
ATOMIC_SPECIES
Au 196.9666 Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
 K  39.0983 K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
Se  78.9600 Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
 P  30.9738 P.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
230
      0.00000000       0.00000000       0.00000000 1.0 
      0.01724138       0.01724138       0.00000000 1.0 
      0.03448276       0.03448276       0.00000000 1.0 
      0.05172414       0.05172414       0.00000000 1.0 
      0.06896552       0.06896552       0.00000000 1.0 
      0.08620690       0.08620690       0.00000000 1.0 
      0.10344828       0.10344828       0.00000000 1.0 
      0.12068966       0.12068966       0.00000000 1.0 
      0.13793103       0.13793103       0.00000000 1.0 
      0.15517241       0.15517241       0.00000000 1.0 
      0.17241379       0.17241379       0.00000000 1.0 
      0.18965517       0.18965517       0.00000000 1.0 
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      0.34482759       0.34482759       0.00000000 1.0 
      0.36206897       0.36206897       0.00000000 1.0 
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      0.43103448       0.43103448       0.00000000 1.0 
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      0.50000000       0.50000000       0.00000000 1.0 
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      0.50784829       0.50784829       0.02438337 1.0 
      0.51569659       0.51569659       0.04876673 1.0 
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      0.53139317       0.53139317       0.09753346 1.0 
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      0.57848293       0.57848293       0.24383365 1.0 
      0.58633122       0.58633122       0.26821702 1.0 
      0.58633122       0.58633122       0.26821702 1.0 
      0.57969036       0.57969036       0.28604648 1.0 
      0.57304949       0.57304949       0.30387594 1.0 
      0.56640863       0.56640863       0.32170540 1.0 
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      0.55312691       0.55312691       0.35736432 1.0 
      0.54648604       0.54648604       0.37519378 1.0 
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      0.51992259       0.51992259       0.44651162 1.0 
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      0.14370178      -0.14370178       0.50000000 1.0 
      0.13264779      -0.13264779       0.50000000 1.0 
      0.12159381      -0.12159381       0.50000000 1.0 
      0.11053983      -0.11053983       0.50000000 1.0 
      0.09948585      -0.09948585       0.50000000 1.0 
      0.08843186      -0.08843186       0.50000000 1.0 
      0.07737788      -0.07737788       0.50000000 1.0 
      0.06632390      -0.06632390       0.50000000 1.0 
      0.05526991      -0.05526991       0.50000000 1.0 
      0.04421593      -0.04421593       0.50000000 1.0 
      0.03316195      -0.03316195       0.50000000 1.0 
      0.02210797      -0.02210797       0.50000000 1.0 
      0.01105398      -0.01105398       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
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      0.01880313       0.01880313       0.51053559 1.0 
      0.03760625       0.03760625       0.52107118 1.0 
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      0.07521251       0.07521251       0.54214236 1.0 
      0.09401563       0.09401563       0.55267795 1.0 
      0.11281876       0.11281876       0.56321354 1.0 
      0.13162188       0.13162188       0.57374913 1.0 
      0.15042501       0.15042501       0.58428472 1.0 
      0.16922814       0.16922814       0.59482031 1.0 
      0.18803126       0.18803126       0.60535590 1.0 
      0.20683439       0.20683439       0.61589149 1.0 
      0.22563752       0.22563752       0.62642708 1.0 
      0.24444064       0.24444064       0.63696267 1.0 
      0.26324377       0.26324377       0.64749826 1.0 
      0.28204689       0.28204689       0.65803385 1.0 
      0.30085002       0.30085002       0.66856944 1.0 
      0.31965315       0.31965315       0.67910503 1.0 
      0.33845627       0.33845627       0.68964062 1.0 
      0.35725940       0.35725940       0.70017621 1.0 
      0.37606253       0.37606253       0.71071180 1.0 
      0.39486565       0.39486565       0.72124739 1.0 
      0.41366878       0.41366878       0.73178298 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.51115462       0.48884538       0.00000000 1.0 
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